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Updated: Jun 12, 2026

Stable Aqueous Suspensions of Manganese Ferrite Clusters with Tunable Nanoscale Dimension and Composition
Published on: February 5, 2022
Magnetic moment and local moment alignment in anionic and/or oxidized Fe(n) clusters
D R Roy1, R Robles, S N Khanna
1Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000, USA.
Abstract:
First principles studies on the ground state structure, binding energy, spin multiplicity, and the noncollinearity of local spin moments in Fe(n) and Fe(n) (-) clusters and their oxides, viz., Fe(n)O(2) and Fe(n)O(2) (-) have been carried out within a density functional formalism. The ground states of Fe(n) and Fe(n) (-) clusters have collinear spins with a magnetic moment of around 3.0 micro(B) per atom. The O(2) molecule is found to be dissociatively absorbed and its most significant effect on spin occurs in Fe(2), where Fe(2)O(2) and Fe(2)O(2) (-) show antiferromagnetic and noncollinear spin arrangements, respectively. The calculated adiabatic electron affinity and the vertical transitions from the anion to the neutral species are found to be in good agreement with the available negative ion photodetachment spectra, providing support to the calculated ground states including the noncollinear ones.
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